5-(azepan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-(1-azepan-1-iumylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C16H20ClN4OS+ MolecularWeight: 351.8742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4OS/c17-12-5-7-13(8-6-12)18-15(22)16-20-19-14(23-16)11-21-9-3-1-2-4-10-21/h5-8H,1-4,9-11H2,(H,18,22)/p+1